(7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate

C17H13NO5 — CID 134816586

IUPAC(7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate
SMILESCOc1ccc2c(OC(=O)O)c(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C17H13NO5/c1-22-11-7-8-12-13(9-11)18-16(19)14(15(12)23-17(20)21)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeySQHLYYQYTSPHLL-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.26
Rot. Bonds3

About (7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate

(7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate (PubChem CID 134816586) has the molecular formula C17H13NO5 and a molecular weight of 311.29 g/mol. Its IUPAC name is (7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate
PubChem CID134816586
Molecular FormulaC17H13NO5
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name(7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate
SMILESCOc1ccc2c(OC(=O)O)c(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C17H13NO5/c1-22-11-7-8-12-13(9-11)18-16(19)14(15(12)23-17(20)21)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeySQHLYYQYTSPHLL-UHFFFAOYSA-N
XLogP3.26
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) N,N-dimethylcarbamate
CID 2785009
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
3-methoxy-5H-phenanthridin-6-one
CID 12706603
4-hydroxy-7-methoxy-3-(2-methoxyphenyl)-1H-quinolin-2-one
CID 54691271
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554
2-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)oxy]acetamide
CID 10711401
(4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate
CID 139716952
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
7-chloro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one
CID 22333215
7-methoxy-3,4-diphenylnaphthalen-2-ol
CID 170563506
5-methoxy-2-methyl-3-phenyl-1H-indole
CID 11564934
7-methoxy-3-phenyl-1H-quinolin-4-one
CID 18771325

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate?
The IUPAC name of (7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate (CID 134816586) is (7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate.
What is the SMILES notation for (7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate?
The canonical SMILES for (7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate is COc1ccc2c(OC(=O)O)c(-c3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of (7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate?
The InChIKey is SQHLYYQYTSPHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5/c1-22-11-7-8-12-13(9-11)18-16(19)14(15(12)23-17(20)21)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19)(H,20,21).
What are the key properties of (7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate?
(7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate has a molecular weight of 311.29 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) hydrogen carbonate is sourced from PubChem (CID 134816586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).